First-principles study of structural and work function properties for nitrogen-doped single-walled carbon nanotubes

Applied Surface Science ◽

10.1016/j.apsusc.2016.01.271 ◽

2016 ◽

Vol 368 ◽

pp. 477-482 ◽

Cited By ~ 10

Author(s):

Xiji Shao ◽

Detian Li ◽

Jianqiu Cai ◽

Haijun Luo ◽

Changkun Dong

Keyword(s):

Carbon Nanotubes ◽

Work Function ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Nitrogen Doped ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Localized valence states characteristics and work function of single-walled carbon nanotubes: A first-principles study

Physical Review B ◽

10.1103/physrevb.65.155422 ◽

2002 ◽

Vol 65 (15) ◽

Cited By ~ 15

Author(s):

Gang Zhou ◽

Yoshiyuki Kawazoe

Keyword(s):

Carbon Nanotubes ◽

Work Function ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Valence States ◽

Walled Carbon Nanotubes

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A first-principles study of lithium absorption in boron- or nitrogen-doped single-walled carbon nanotubes

Carbon ◽

10.1016/j.carbon.2004.06.019 ◽

2004 ◽

Vol 42 (12-13) ◽

pp. 2677-2682 ◽

Cited By ~ 90

Author(s):

Zhen Zhou ◽

Xueping Gao ◽

Jie Yan ◽

Deying Song ◽

Masahiko Morinaga

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Nitrogen Doped ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 43

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Dopamine sensing by boron and nitrogen co-doped single-walled carbon nanotubes: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2018.12.137 ◽

2019 ◽

Vol 473 ◽

pp. 59-64 ◽

Cited By ~ 9

Author(s):

Chen-Hao Yeh ◽

Yung-Jou Hsiao ◽

Jyh-Chiang Jiang

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes ◽

Co Doped

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Dissociative adsorption of O2 on negatively charged nitrogen-doped single-walled carbon nanotubes: first-principles calculations

RSC Advances ◽

10.1039/c6ra14023h ◽

2016 ◽

Vol 6 (87) ◽

pp. 84155-84163 ◽

Cited By ~ 5

Author(s):

Divya Srivastava ◽

Kari Laasonen

Keyword(s):

Carbon Nanotubes ◽

Dft Calculations ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Dissociative Adsorption ◽

First Principles Calculations ◽

Nitrogen Doped ◽

Single Walled Carbon ◽

Additional Charges ◽

Walled Carbon Nanotubes

Spin unrestricted DFT calculations have been used to study the molecular and dissociative adsorption of O2 on achiral substitutional nitrogen-doped single-walled carbon nanotubes with and without additional charges.

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Physisorption of adenine DNA nucleosides on zigzag and armchair single-walled carbon nanotubes: A first-principles study

Physical Review B ◽

10.1103/physrevb.79.195419 ◽

2009 ◽

Vol 79 (19) ◽

Cited By ~ 25

Author(s):

Hongming Wang ◽

Arnout Ceulemans

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Stable geometries and magnetic properties of single-walled carbon nanotubes doped with3dtransition metals: A first-principles study

Physical Review B ◽

10.1103/physrevb.69.075414 ◽

2004 ◽

Vol 69 (7) ◽

Cited By ~ 203

Author(s):

Yosuke Yagi ◽

Tina M. Briere ◽

Marcel H. F. Sluiter ◽

Vijay Kumar ◽

Amir A. Farajian ◽

...

Keyword(s):

Carbon Nanotubes ◽

Magnetic Properties ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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First principles study on B/N pairs co-doping zigzag single-walled carbon nanotubes

Chemical Physics Letters ◽

10.1016/j.cplett.2016.04.081 ◽

2016 ◽

Vol 653 ◽

pp. 144-148 ◽

Cited By ~ 4

Author(s):

Xinhua Yao ◽

Kejing Li ◽

Jinqian Ye ◽

Qing Yi Shao

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Co Doping ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Fe3C cluster confined in single-walled carbon nanotubes: A first-principles study

Journal of Applied Physics ◽

10.1063/1.2975193 ◽

2008 ◽

Vol 104 (5) ◽

pp. 054310 ◽

Cited By ~ 5

Author(s):

Shijun Yuan ◽

Xueli Wang ◽

Pai Li ◽

Fashen Li ◽

Songliu Yuan

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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First-principles study of a hybrid carbon material: Imperfect fullerenes covalently bonded to defective single-walled carbon nanotubes

Physical Review B ◽

10.1103/physrevb.77.033415 ◽

2008 ◽

Vol 77 (3) ◽

Cited By ~ 20

Author(s):

Tiezhu Meng ◽

Chong-Yu Wang ◽

Shan-Ying Wang

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Carbon Material ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Covalently Bonded ◽

Walled Carbon Nanotubes ◽

Hybrid Carbon

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